Geometry & MOs

Info

ID:	11168
PubChem CID:	111550
Reduced:	TiO8C38H70 (1)
Stoich.:	AB8C38D70 (1)
Weight, g/mol:	702.45501
ΔH_f, kcal/mol:	-449.7
Dipole, Da:	12.83
IP(EA), eV:	-7.34(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxyacetic acid;16-methylheptadecanoic acid;11-(3-pent-2-enyloxiran-2-yl)undec-9-enoic acid;titanium

Drug info:

PubChemData

Smile

CCC=CCC1C(O1)CC=CCCCCCCCC(=O)O.CC(C)CCCCCCCCCCCCCCC(=O)O.C(C(=O)O)O.[Ti]

DOS

IR

Vibrations